2-[[4-methoxy-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]ethyl N-methylcarbamate

C11H18N6O3 — CID 21434544

IUPAC2-[[4-methoxy-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]ethyl N-methylcarbamate
SMILESC=CCNc1nc(NCCOC(=O)NC)nc(OC)n1
InChIInChI=1S/C11H18N6O3/c1-4-5-13-8-15-9(17-10(16-8)19-3)14-6-7-20-11(18)12-2/h4H,1,5-7H2,2-3H3,(H,12,18)(H2,13,14,15,16,17)
InChIKeyPJXCOXZCPMZFPL-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.25
Rot. Bonds8

About 2-[[4-methoxy-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]ethyl N-methylcarbamate

2-[[4-methoxy-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]ethyl N-methylcarbamate (PubChem CID 21434544) has the molecular formula C11H18N6O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-[[4-methoxy-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]ethyl N-methylcarbamate.

Molecular Properties

Compound Name2-[[4-methoxy-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]ethyl N-methylcarbamate
PubChem CID21434544
Molecular FormulaC11H18N6O3
Molecular Weight282.30 g/mol
Exact Mass282.14
IUPAC Name2-[[4-methoxy-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]ethyl N-methylcarbamate
SMILESC=CCNc1nc(NCCOC(=O)NC)nc(OC)n1
InChIInChI=1S/C11H18N6O3/c1-4-5-13-8-15-9(17-10(16-8)19-3)14-6-7-20-11(18)12-2/h4H,1,5-7H2,2-3H3,(H,12,18)(H2,13,14,15,16,17)
InChIKeyPJXCOXZCPMZFPL-UHFFFAOYSA-N
XLogP0.25
TPSA110.29 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-methoxy-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]ethyl N-methylcarbamate?
The IUPAC name of 2-[[4-methoxy-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]ethyl N-methylcarbamate (CID 21434544) is 2-[[4-methoxy-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]ethyl N-methylcarbamate.
What is the SMILES notation for 2-[[4-methoxy-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]ethyl N-methylcarbamate?
The canonical SMILES for 2-[[4-methoxy-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]ethyl N-methylcarbamate is C=CCNc1nc(NCCOC(=O)NC)nc(OC)n1.
What is the InChIKey of 2-[[4-methoxy-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]ethyl N-methylcarbamate?
The InChIKey is PJXCOXZCPMZFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O3/c1-4-5-13-8-15-9(17-10(16-8)19-3)14-6-7-20-11(18)12-2/h4H,1,5-7H2,2-3H3,(H,12,18)(H2,13,14,15,16,17).
What are the key properties of 2-[[4-methoxy-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]ethyl N-methylcarbamate?
2-[[4-methoxy-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]ethyl N-methylcarbamate has a molecular weight of 282.30 g/mol, XLogP of 0.25, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methoxy-6-(prop-2-enylamino)-1,3,5-triazin-2-yl]amino]ethyl N-methylcarbamate is sourced from PubChem (CID 21434544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).